9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole

C159H103N17 — CID 157494844

IUPAC9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1
InChIInChI=1S/3C40H26N4.C39H25N5/c1-4-14-27(15-5-1)33-26-34(28-16-6-2-7-17-28)42-40(41-33)44-35-22-12-10-20-30(35)31-24-25-37-38(39(31)44)32-21-11-13-23-36(32)43(37)29-18-8-3-9-19-29;1-4-14-27(15-5-1)33-26-34(28-16-6-2-7-17-28)42-40(41-33)44-36-23-13-11-21-32(36)38-37(44)25-24-31-30-20-10-12-22-35(30)43(39(31)38)29-18-8-3-9-19-29;1-4-14-27(15-5-1)32-26-33(28-16-6-2-7-17-28)42-40(41-32)44-35-23-13-11-21-31(35)39-37(44)25-24-36-38(39)30-20-10-12-22-34(30)43(36)29-18-8-3-9-19-29;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-24-31-29-20-10-12-22-33(29)43(35(31)25-36(32)44)28-18-8-3-9-19-28/h3*1-26H;1-25H
InChIKeyBXRYYKLTYJVUAE-UHFFFAOYSA-N
MW2251.69 g/mol
LogP39.41
Rot. Bonds16

About 9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole

9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole (PubChem CID 157494844) has the molecular formula C159H103N17 and a molecular weight of 2251.69 g/mol. Its IUPAC name is 9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
PubChem CID157494844
Molecular FormulaC159H103N17
Molecular Weight2251.69 g/mol
Exact Mass2249.86
IUPAC Name9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1
InChIInChI=1S/3C40H26N4.C39H25N5/c1-4-14-27(15-5-1)33-26-34(28-16-6-2-7-17-28)42-40(41-33)44-35-22-12-10-20-30(35)31-24-25-37-38(39(31)44)32-21-11-13-23-36(32)43(37)29-18-8-3-9-19-29;1-4-14-27(15-5-1)33-26-34(28-16-6-2-7-17-28)42-40(41-33)44-36-23-13-11-21-32(36)38-37(44)25-24-31-30-20-10-12-22-35(30)43(39(31)38)29-18-8-3-9-19-29;1-4-14-27(15-5-1)32-26-33(28-16-6-2-7-17-28)42-40(41-32)44-35-23-13-11-21-31(35)39-37(44)25-24-36-38(39)30-20-10-12-22-34(30)43(36)29-18-8-3-9-19-29;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-24-31-29-20-10-12-22-33(29)43(35(31)25-36(32)44)28-18-8-3-9-19-28/h3*1-26H;1-25H
InChIKeyBXRYYKLTYJVUAE-UHFFFAOYSA-N
XLogP39.41
TPSA155.45 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002251.69
LogP ≤ 539.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole with MolForge

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Related Compounds

12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 161105054
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 161114464
7-phenyl-5-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 164990213
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 158138406
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-b]carbazole
CID 90195034
9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 159896953
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole
CID 88917516
12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496601
5-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 169014315
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169014428
10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 129141718
5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162363120

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole (CID 157494844) is 9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1.
What is the InChIKey of 9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole?
The InChIKey is BXRYYKLTYJVUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C40H26N4.C39H25N5/c1-4-14-27(15-5-1)33-26-34(28-16-6-2-7-17-28)42-40(41-33)44-35-22-12-10-20-30(35)31-24-25-37-38(39(31)44)32-21-11-13-23-36(32)43(37)29-18-8-3-9-19-29;1-4-14-27(15-5-1)33-26-34(28-16-6-2-7-17-28)42-40(41-33)44-36-23-13-11-21-32(36)38-37(44)25-24-31-30-20-10-12-22-35(30)43(39(31)38)29-18-8-3-9-19-29;1-4-14-27(15-5-1)32-26-33(28-16-6-2-7-17-28)42-40(41-32)44-35-23-13-11-21-31(35)39-37(44)25-24-36-38(39)30-20-10-12-22-34(30)43(36)29-18-8-3-9-19-29;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-24-31-29-20-10-12-22-33(29)43(35(31)25-36(32)44)28-18-8-3-9-19-28/h3*1-26H;1-25H.
What are the key properties of 9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole?
9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole has a molecular weight of 2251.69 g/mol, XLogP of 39.41, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 157494844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).